SCHEMBL24449643

SCHEMBL24449643

CC(C)(C)OC(C)(C)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM2 P08172 2/20 0.41
AHR P35869 2/20 0.38
BLM P54132 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
CYP2D6 P10635 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7454285 0.91 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL5148545 0.81 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL31174998 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL19222207 0.78 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL21742282 0.76 CHRM2 (0.46) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL24380350 0.76 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL4388586 0.76 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL678325 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL3076392 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2AHRBLM
SCHEMBL29080 0.75 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2AHRBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-20220162231-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 SMN1; SMN2 2757/4885L3MBTL1 4797/4885CHRM2 4760/4885
US-20220162231-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 SMN1; SMN2 3361/4885L3MBTL1 4851/4885CHRM2 4506/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.